ChemSpider 2D Image | 2-({[(2R,3R)-2-(Trifluoromethyl)tetrahydro-3-furanyl]carbonyl}oxy)-1H-isoindole-1,3(2H)-dione | C14H10F3NO5

2-({[(2R,3R)-2-(Trifluoromethyl)tetrahydro-3-furanyl]carbonyl}oxy)-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC14H10F3NO5
  • Average mass329.228 Da
  • Monoisotopic mass329.051117 Da
  • ChemSpider ID71105194

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Isoindole-1,3(2H)-dione, 2-[[[(2R,3R)-tetrahydro-2-(trifluoromethyl)-3-furanyl]carbonyl]oxy]- [ACD/Index Name]
2-({[(2R,3R)-2-(Trifluormethyl)tetrahydro-3-furanyl]carbonyl}oxy)-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-({[(2R,3R)-2-(Trifluoromethyl)tetrahydro-3-furanyl]carbonyl}oxy)-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-({[(2R,3R)-2-(Trifluorométhyl)tétrahydro-3-furanyl]carbonyl}oxy)-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
2248269-98-7 [RN]
rac-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl (2R,3R)-2-(trifluoromethyl)oxolane-3-carboxylate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 414.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.8±3.0 kJ/mol
Flash Point: 204.6±31.5 °C
Index of Refraction: 1.558
Molar Refractivity: 67.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.89
ACD/KOC (pH 5.5): 216.89
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.89
ACD/KOC (pH 7.4): 216.89
Polar Surface Area: 73 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 210.1±5.0 cm3

Click to predict properties on the Chemicalize site


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